N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide

C18H21NO — CID 163590509

IUPACN-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C)c2C)cc1C
InChIInChI=1S/C18H21NO/c1-11-6-8-16(10-13(11)3)19-18(20)17-9-7-12(2)14(4)15(17)5/h6-10H,1-5H3,(H,19,20)
InChIKeyMPPGUASKNJNGGJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.48
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide

N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide (PubChem CID 163590509) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
PubChem CID163590509
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C)c2C)cc1C
InChIInChI=1S/C18H21NO/c1-11-6-8-16(10-13(11)3)19-18(20)17-9-7-12(2)14(4)15(17)5/h6-10H,1-5H3,(H,19,20)
InChIKeyMPPGUASKNJNGGJ-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
4-[(3,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 15943706
2-[(3,4-dimethylphenyl)carbamoyl]terephthalate
CID 7364814
N-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
CID 70116493
N-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497549
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
N-(3,4-dimethylphenyl)-2-methyl-3,5-dinitrobenzamide
CID 4630159
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide (CID 163590509) is N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide is Cc1ccc(NC(=O)c2ccc(C)c(C)c2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide?
The InChIKey is MPPGUASKNJNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-6-8-16(10-13(11)3)19-18(20)17-9-7-12(2)14(4)15(17)5/h6-10H,1-5H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide?
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide is sourced from PubChem (CID 163590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).